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  1. mdgo mdgo Public

    A codebase for classical molecular dynamics (MD) simulation setup and results analysis.

    Python 26 15

  2. InterOptimus InterOptimus Public

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  3. PEMD PEMD Public

    Polymer Electrolyte Modeling and Discovery (PEMD) is a Python toolkit for building, simulating, and analyzing polymer-electrolyte systems. a test version for PEMD

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  6. mattergen mattergen Public

    Forked from microsoft/mattergen

    Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property c…

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  • PEMD Public

    Polymer Electrolyte Modeling and Discovery (PEMD) is a Python toolkit for building, simulating, and analyzing polymer-electrolyte systems. a test version for PEMD

    HouGroup/PEMD's past year of commit activity
    Python 13 8 1 0 Updated Sep 14, 2026
  • InterOptimus Public

    High-throughput simulation for crystalline interfaces

    HouGroup/InterOptimus's past year of commit activity
    Python 22 MIT 7 1 0 Updated Sep 10, 2026
  • SROS Public Forked from Liaojh123/SROS

    Short-Range Order Swapping method

    HouGroup/SROS's past year of commit activity
    Python 5 MIT 3 0 0 Updated May 20, 2026
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    Importable functions for jobflows

    HouGroup/JobflowFunctions's past year of commit activity
    Python 0 MIT 0 0 0 Updated Jan 26, 2026
  • mlipdockers Public

    Request to docker containers in which the python enviroments for different machine learning potential usages are implemented. Using this package, one can get the predicted potential energy for any structure using any MLIP without needing to change python environments.

    HouGroup/mlipdockers's past year of commit activity
    Python 1 0 0 0 Updated May 9, 2025
  • mattergen Public Forked from microsoft/mattergen

    Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property constraints.

    HouGroup/mattergen's past year of commit activity
    Python 0 MIT 356 0 0 Updated Jan 16, 2025
  • mdgo Public

    A codebase for classical molecular dynamics (MD) simulation setup and results analysis.

    Python 26 15 2 1 Updated Feb 5, 2024

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